5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol

C113H94F18N6O22 — CID 158617368

About 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol

5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol (PubChem CID 158617368) has the molecular formula C113H94F18N6O22 and a molecular weight of 2229.98 g/mol. Its IUPAC name is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol.

Molecular Properties

• Compound Name: 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol
• PubChem CID: 158617368
• Molecular Formula: C113H94F18N6O22
• Molecular Weight: 2229.98 g/mol
• Exact Mass: 2228.61
• IUPAC Name: 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol
• SMILES: CC(C)O.CC(C)c1ccc(O)cc1.CC(CC1C(=O)N(c2ccc(O)cc2)C(=O)C1C)c1ccc(O)cc1.CC1C(=O)N(c2ccc(O)cc2)C(=O)C1C.Cc1ccc(C(c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O.Cc1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O
• InChI: InChI=1S/C36H20F12N2O6.C33H20F6N2O7.C20H21NO4.C12H13NO3.C9H12O.C3H8O/c1-15-3-4-18(13-25(15)51)32(35(43,44)45,36(46,47)48)19-7-10-24(26(52)14-19)50-29(55)21-9-6-17(12-23(21)30(50)56)31(33(37,38)39,34(40,41)42)16-5-8-20-22(11-16)28(54)49(2)27(20)53;1-15-3-4-16(11-25(15)42)31(32(34,35)36,33(37,38)39)17-5-10-24(26(43)12-17)41-29(46)21-9-7-19(14-23(21)30(41)47)48-18-6-8-20-22(13-18)28(45)40(2)27(20)44;1-12(14-3-7-16(22)8-4-14)11-18-13(2)19(24)21(20(18)25)15-5-9-17(23)10-6-15;1-7-8(2)12(16)13(11(7)15)9-3-5-10(14)6-4-9;1-7(2)8-3-5-9(10)6-4-8;1-3(2)4/h3-14,51-52H,1-2H3;3-14,42-43H,1-2H3;3-10,12-13,18,22-23H,11H2,1-2H3;3-8,14H,1-2H3;3-7,10H,1-2H3;3-4H,1-2H3
• InChIKey: HXOAVQMDJLXZMT-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 415.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2229.98
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol?

The IUPAC name of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol (CID 158617368) is 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol.

What is the SMILES notation for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol?

The canonical SMILES for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol is CC(C)O.CC(C)c1ccc(O)cc1.CC(CC1C(=O)N(c2ccc(O)cc2)C(=O)C1C)c1ccc(O)cc1.CC1C(=O)N(c2ccc(O)cc2)C(=O)C1C.Cc1ccc(C(c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O.Cc1ccc(C(c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(O)c2)(C(F)(F)F)C(F)(F)F)cc1O.

What is the InChIKey of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol?

The InChIKey is HXOAVQMDJLXZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20F12N2O6.C33H20F6N2O7.C20H21NO4.C12H13NO3.C9H12O.C3H8O/c1-15-3-4-18(13-25(15)51)32(35(43,44)45,36(46,47)48)19-7-10-24(26(52)14-19)50-29(55)21-9-6-17(12-23(21)30(50)56)31(33(37,38)39,34(40,41)42)16-5-8-20-22(11-16)28(54)49(2)27(20)53;1-15-3-4-16(11-25(15)42)31(32(34,35)36,33(37,38)39)17-5-10-24(26(43)12-17)41-29(46)21-9-7-19(14-23(21)30(41)47)48-18-6-8-20-22(13-18)28(45)40(2)27(20)44;1-12(14-3-7-16(22)8-4-14)11-18-13(2)19(24)21(20(18)25)15-5-9-17(23)10-6-15;1-7-8(2)12(16)13(11(7)15)9-3-5-10(14)6-4-9;1-7(2)8-3-5-9(10)6-4-8;1-3(2)4/h3-14,51-52H,1-2H3;3-14,42-43H,1-2H3;3-10,12-13,18,22-23H,11H2,1-2H3;3-8,14H,1-2H3;3-7,10H,1-2H3;3-4H,1-2H3.

What are the key properties of 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol?

5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol has a molecular weight of 2229.98 g/mol, XLogP of 22.75, 16 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;5-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(3-hydroxy-4-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;1-(4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione;1-(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)propyl]-4-methylpyrrolidine-2,5-dione;propan-2-ol;4-propan-2-ylphenol is sourced from PubChem (CID 158617368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).